N-(4-bromanylisoquinolin-3-yl)-2-fluoranyl-6-(pyridin-4-ylmethylamino)benzamide

Systemtic Name: N-(4-bromanylisoquinolin-3-yl)-2-fluoranyl-6-(pyridin-4-ylmethylamino)benzamide Openeye Name: N-(4-bromo-3-isoquinolyl)-2-fluoro-6-(4-pyridylmethylamino)benzamide CAS Name: N-(4-bromo-3-isoquinolinyl)-2-fluoro-6-(pyridin-4-ylmethylamino)benzamide IUPAC Name: N-(4-bromoisoquinolin-3-yl)-2-fluoro-6-(pyridin-4-ylmethylamino)benzamide Traditional Name: N-(4-bromo-3-isoquinolyl)-2-fluoro-6-(4-pyridylmethylamino)benzamide Formula: C22H16BrFN4O MolecularWeight: 451.291043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=NC(=C2Br)NC(=O)C3=C(C=CC=C3F)NCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=NC(=C2Br)NC(=O)C3=C(C=CC=C3F)NCC4=CC=NC=C4

InChI

InChI=1S/C22H16BrFN4O/c23-20-16-5-2-1-4-15(16)13-27-21(20)28-22(29)19-17(24)6-3-7-18(19)26-12-14-8-10-25-11-9-14/h1-11,13,26H,12H2,(H,27,28,29)